@<TRIPOS>MOLECULE
DB02054
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9450    -1.2038     0.0000	O.2	1	noname	-0.2597
2	C1    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0838
3	O2    -0.0200    -2.3729     0.0000	O.3	1	noname	-0.2191
4	C2     0.0000     0.0000     0.0000	C.2	1	noname	-0.0079
5	C3     1.3900     0.0000     0.0000	C.2	1	noname	-0.0173
6	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0386
7	C5     2.0850     1.2038     0.0000	C.2	1	noname	-0.0185
8	C6    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0470
9	N1     3.4250     1.2038     0.0000	N.3	1	noname	-0.1542
10	C7     1.3900     2.4076     0.0000	C.2	1	noname	-0.0455
11	H1     0.1400    -2.6500     0.9051	H	1	noname	0.2216
12	H2     1.9350    -0.9440     0.0000	H	1	noname	0.0647
13	H3    -1.7850     1.2038     0.0000	H	1	noname	0.0631
14	H4    -0.5450     3.3515     0.0000	H	1	noname	0.0623
15	H5     3.9300     0.3291     0.0000	H	1	noname	0.1242
16	H6     3.9300     2.0785     0.0000	H	1	noname	0.1242
17	H7     1.9350     3.3515     0.0000	H	1	noname	0.0639
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	1
9	7	10	2
10	8	10	1
11	3	11	1
12	5	12	1
13	6	13	1
14	8	14	1
15	9	15	1
16	9	16	1
17	10	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1